propan-2-yl 2,4-dimethyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-15(2)29-23(28)20-16(3)21(24-17(20)4)22(27)25-19-10-12-26(13-11-19)14-18-8-6-5-7-9-18/h5-9,15,19,24H,10-14H2,1-4H3,(H,25,27)/p+1